Geometry & MOs

Info

ID:	306245
PubChem CID:	125003310
Reduced:	FON5H22C24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	37.79
Dipole, Da:	5.91
IP(EA), eV:	-8.64(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-oxan-3-yl]-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CO[C@@H](CN1CC2=CC3=C(C=C2)N=CC=C3)C4=NC=C(C=C4)NC5=NC=C(C=C5)F

DOS

IR

Vibrations